10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine

C65H46N2O2 — CID 70930496

IUPAC10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5ccc(N6c7ccccc7Oc7ccccc76)cc35)=CC(N3c5ccccc5Oc5ccccc53)CC=4)cc21
InChIInChI=1S/C65H46N2O2/c1-65(2)53-19-7-6-18-47(53)48-35-32-44(38-54(48)65)64-50-37-34-45(66-55-20-8-12-24-59(55)68-60-25-13-9-21-56(60)66)39-51(50)63(43-30-28-42(29-31-43)41-16-4-3-5-17-41)49-36-33-46(40-52(49)64)67-57-22-10-14-26-61(57)69-62-27-15-11-23-58(62)67/h3-33,35-40,45H,34H2,1-2H3
InChIKeyJFHFTYADBKHSQL-UHFFFAOYSA-N
MW887.10 g/mol
LogP16.00
Rot. Bonds5

About 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine

10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine (PubChem CID 70930496) has the molecular formula C65H46N2O2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine
PubChem CID70930496
Molecular FormulaC65H46N2O2
Molecular Weight887.10 g/mol
Exact Mass886.36
IUPAC Name10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5ccc(N6c7ccccc7Oc7ccccc76)cc35)=CC(N3c5ccccc5Oc5ccccc53)CC=4)cc21
InChIInChI=1S/C65H46N2O2/c1-65(2)53-19-7-6-18-47(53)48-35-32-44(38-54(48)65)64-50-37-34-45(66-55-20-8-12-24-59(55)68-60-25-13-9-21-56(60)66)39-51(50)63(43-30-28-42(29-31-43)41-16-4-3-5-17-41)49-36-33-46(40-52(49)64)67-57-22-10-14-26-61(57)69-62-27-15-11-23-58(62)67/h3-33,35-40,45H,34H2,1-2H3
InChIKeyJFHFTYADBKHSQL-UHFFFAOYSA-N
XLogP16.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine (CID 70930496) is 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine is CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc(-c6ccccc6)cc5)c5ccc(N6c7ccccc7Oc7ccccc76)cc35)=CC(N3c5ccccc5Oc5ccccc53)CC=4)cc21.
What is the InChIKey of 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine?
The InChIKey is JFHFTYADBKHSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O2/c1-65(2)53-19-7-6-18-47(53)48-35-32-44(38-54(48)65)64-50-37-34-45(66-55-20-8-12-24-59(55)68-60-25-13-9-21-56(60)66)39-51(50)63(43-30-28-42(29-31-43)41-16-4-3-5-17-41)49-36-33-46(40-52(49)64)67-57-22-10-14-26-61(57)69-62-27-15-11-23-58(62)67/h3-33,35-40,45H,34H2,1-2H3.
What are the key properties of 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine?
10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine has a molecular weight of 887.10 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(9,9-dimethylfluoren-2-yl)-6-phenoxazin-10-yl-10-(4-phenylphenyl)-6,7-dihydroanthracen-2-yl]phenoxazine is sourced from PubChem (CID 70930496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).